S-(methylamino) N-[[7-ethyl-3-[(5-oxidanylidene-2H-pyrrol-1-yl)carbonylamino]-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate

Systemtic Name: S-(methylamino) N-[[7-ethyl-3-[(5-oxidanylidene-2H-pyrrol-1-yl)carbonylamino]-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate Openeye Name: S-(methylamino) N-[7-ethyl-3-[(5-oxo-2H-pyrrole-1-carbonyl)amino]chroman-6-yl]sulfonylcarbamothioate CAS Name: N-[[7-ethyl-3-[[oxo-(5-oxo-2H-pyrrol-1-yl)methyl]amino]-3,4-dihydro-2H-1-benzopyran-6-yl]sulfonyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[[7-ethyl-3-[(5-oxo-2H-pyrrole-1-carbonyl)amino]-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate Traditional Name: N-[7-ethyl-3-[(2-keto-3-pyrroline-1-carbonyl)amino]chroman-6-yl]sulfonylthiocarbamic acid S-(methylamino) ester Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2CC(COC2=C1)NC(=O)N3CC=CC3=O)S(=O)(=O)NC(=O)SNC

Isomeric SMILES

CCC1=C(C=C2CC(COC2=C1)NC(=O)N3CC=CC3=O)S(=O)(=O)NC(=O)SNC

InChI

InChI=1S/C18H22N4O6S2/c1-3-11-8-14-12(9-15(11)30(26,27)21-18(25)29-19-2)7-13(10-28-14)20-17(24)22-6-4-5-16(22)23/h4-5,8-9,13,19H,3,6-7,10H2,1-2H3,(H,20,24)(H,21,25)